Information card for entry 1555695

Structure parameters

• Formula: C19 H19 Cl O3
• Calculated formula: C19 H19 Cl O3
• SMILES: Clc1ccc(cc1)[C@@H]1C[C@@]1(C(=O)OCC)c1ccc(OC)cc1
• Title of publication: Preparation of Optically Active cis-Cyclopropane Carboxylates: Cyclopropanation of α-Silyl Stryenes with Aryldiazoacetates and Desilylation of the Resulting Silyl Cyclopropanes.
• Authors of publication: Su, Yan; Li, Qing-Fang; Zhao, Yu-Ming; Gu, Peiming
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4356 - 4359
• a: 8.4147 ± 0.0007 Å
• b: 9.8374 ± 0.001 Å
• c: 20.9238 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1732 ± 0.3 ų
• Cell temperature: 290.53 ± 0.1 K
• Ambient diffraction temperature: 290.53 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No